Geometry & MOs

Info

ID:	426814
PubChem CID:	135154006
Reduced:	SO2N5C17H19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	442.211724
ΔH_f, kcal/mol:	21.18
Dipole, Da:	3.72
IP(EA), eV:	-8.82(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(1H-indol-5-yloxy)piperidin-1-yl]-5-methyl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)OC2CCN(CC2)C3=NC(=NC=C3C#N)SC

DOS

IR

Vibrations